0 mol 7 unq 0 iso 0 dist 5.72491 9.67164 8.0744 10.789 9.55056 14.144 7.10621 5.44992 13.156 7.31201 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.72491 9.67164 8.0744 10.515 7.45262 8.81608 10.5461 10.2446 6.88805 6.36911 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 5.72491 9.67164 8.0744 10.515 7.45262 8.81608 7.10621 5.44992 13.156 9.36807 numMergedOcc 0
3 mol 7 unq 3 iso 0 dist 7.88043 5.99459 8.0744 12.2708 9.55056 14.144 12.2333 5.44992 13.156 7.31201 numMergedOcc 0
4 mol 7 unq 4 iso 0 dist 7.88043 5.99459 8.0744 6.06176 7.45262 8.81608 8.41585 10.2446 6.88805 6.36911 numMergedOcc 0
5 mol 7 unq 5 iso 0 dist 7.88043 5.99459 8.0744 6.06176 7.45262 8.81608 12.2333 5.44992 13.156 9.36807 numMergedOcc 0
6 mol 7 unq 6 iso 0 dist 8.80762 5.99459 11.7002 12.2708 7.57354 14.144 12.2333 4.74523 13.156 7.31201 numMergedOcc 0
7 mol 7 unq 7 iso 0 dist 8.80762 5.99459 11.7002 6.06176 6.96586 8.81608 8.41585 12.3097 6.88805 6.36911 numMergedOcc 0
8 mol 7 unq 8 iso 0 dist 8.80762 5.99459 11.7002 6.06176 6.96586 8.81608 12.2333 4.74523 13.156 9.36807 numMergedOcc 0
9 mol 8 unq 0 iso 0 dist 6.82379 6.56356 8.64248 13.7792 8.94096 17.0548 9.88063 5.02333 9.68798 8.99126 numMergedOcc 0
10 mol 9 unq 0 iso 0 dist 7.05346 8.30653 4.3947 13.5628 9.82483 13.9961 15.1483 11.0722 15.0589 6.33889 numMergedOcc 0
11 mol 24 unq 0 iso 0 dist 6.60423 7.95042 4.47891 5.39241 8.62284 11.8884 6.86014 6.00575 5.69214 9.75144 numMergedOcc 0
12 mol 115 unq 0 iso 0 dist 5.72642 7.69765 7.27912 11.7126 9.9928 16.7897 7.88312 7.3094 11.835 6.99777 numMergedOcc 0
13 mol 115 unq 1 iso 0 dist 5.72642 9.42082 10.5109 11.7126 9.9928 12.9982 7.88312 7.3094 6.07067 6.99777 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 7.99857 6.99446 6.29394 6.35763 9.87025 6.13374 9.87172 7.61939 6.20019 6.19042 numMergedOcc 0
15 mol 119 unq 1 iso 0 dist 7.99857 6.99446 6.29394 6.35763 9.87025 6.13374 10.1813 10.326 4.39676 8.43904 numMergedOcc 0
16 mol 119 unq 2 iso 0 dist 7.99857 6.99446 6.29394 7.36192 5.85818 9.08536 14.5183 9.3046 14.443 7.39889 numMergedOcc 0
17 mol 119 unq 3 iso 0 dist 7.99857 6.99446 6.29394 7.36192 5.85818 9.08536 10.3704 4.91132 9.68677 9.63176 numMergedOcc 0
18 mol 119 unq 4 iso 0 dist 7.99857 6.99446 6.29394 7.36192 5.85818 9.08536 9.87172 7.61939 6.20019 7.44174 numMergedOcc 0
19 mol 119 unq 5 iso 0 dist 8.56342 7.64052 6.29394 10.0197 9.87025 6.13374 12.6489 7.61939 6.20019 6.19042 numMergedOcc 0
20 mol 119 unq 6 iso 0 dist 8.56342 7.64052 6.29394 10.0197 9.87025 6.13374 9.72413 10.326 4.39676 8.43904 numMergedOcc 0
21 mol 119 unq 7 iso 0 dist 8.56342 7.64052 6.29394 10.6679 5.85818 9.08536 16.7981 9.3046 14.443 7.39889 numMergedOcc 0
22 mol 119 unq 8 iso 0 dist 8.56342 7.64052 6.29394 10.6679 5.85818 9.08536 8.73993 4.91132 9.68677 9.63176 numMergedOcc 0
23 mol 119 unq 9 iso 0 dist 8.56342 7.64052 6.29394 10.6679 5.85818 9.08536 12.6489 7.61939 6.20019 7.44174 numMergedOcc 0
24 mol 130 unq 0 iso 0 dist 8.33077 6.93139 6.76477 8.84655 6.42785 10.1252 13.7544 7.55374 11.2343 6.79146 numMergedOcc 0
25 mol 130 unq 1 iso 0 dist 8.33077 6.93139 6.76477 8.84655 6.42785 10.1252 13.572 11.576 12.2398 7.66168 numMergedOcc 0
26 mol 130 unq 2 iso 0 dist 8.33077 6.93139 6.76477 8.84655 6.42785 10.1252 8.70949 5.97111 4.97996 6.89257 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 7.63338 7.36975 3.75378 6.01455 8.1582 7.05845 10.6877 6.41287 7.63293 7.31468 numMergedOcc 0
28 mol 143 unq 1 iso 0 dist 7.63338 7.36975 3.75378 6.01455 8.1582 7.05845 12.7524 11.488 11.903 7.7056 numMergedOcc 0
29 mol 143 unq 2 iso 0 dist 7.63338 5.40637 8.4697 6.01455 8.1582 10.55 10.6877 6.41287 12.5839 7.31468 numMergedOcc 0
30 mol 143 unq 3 iso 0 dist 7.63338 5.40637 8.4697 6.01455 8.1582 10.55 12.7524 11.488 15.4973 7.7056 numMergedOcc 0
31 mol 143 unq 4 iso 0 dist 7.25673 7.36975 9.30534 6.01455 7.88655 7.05845 10.6877 7.11704 7.63293 7.31468 numMergedOcc 0
32 mol 143 unq 5 iso 0 dist 7.25673 7.36975 9.30534 6.01455 7.88655 7.05845 12.7524 9.53139 11.903 7.7056 numMergedOcc 0
33 mol 143 unq 6 iso 0 dist 7.25673 5.40637 6.78032 6.01455 7.88655 10.55 10.6877 7.11704 12.5839 7.31468 numMergedOcc 0
34 mol 143 unq 7 iso 0 dist 7.25673 5.40637 6.78032 6.01455 7.88655 10.55 12.7524 9.53139 15.4973 7.7056 numMergedOcc 0
35 mol 175 unq 0 iso 0 dist 7.35824 9.63417 5.68406 11.1651 7.01126 11.9429 19.63 13.9336 16.5909 9.31887 numMergedOcc 0
36 mol 175 unq 1 iso 0 dist 9.17364 9.63417 9.31641 11.1651 6.58434 11.9429 19.63 11.873 16.5909 9.31887 numMergedOcc 0
37 mol 184 unq 0 iso 0 dist 8.77887 9.90822 6.88536 6.47974 6.21206 10.9394 15.173 8.41716 13.0302 9.52936 numMergedOcc 0
38 mol 184 unq 1 iso 0 dist 8.77887 9.90822 6.88536 6.47974 6.21206 10.9394 13.8822 5.72305 11.6498 9.15417 numMergedOcc 0
39 mol 184 unq 2 iso 0 dist 8.77887 6.73504 6.19242 6.47974 6.21206 7.59939 15.173 8.41716 13.8904 9.52936 numMergedOcc 0
40 mol 184 unq 3 iso 0 dist 8.77887 6.73504 6.19242 6.47974 6.21206 7.59939 13.8822 5.72305 10.3179 9.15417 numMergedOcc 0
41 mol 214 unq 0 iso 0 dist 6.38157 7.46481 5.73082 6.67959 5.10114 8.70987 8.85478 5.63388 11.1534 7.46831 numMergedOcc 0
42 mol 214 unq 1 iso 0 dist 6.38157 7.46481 5.73082 6.67959 5.10114 8.70987 11.9355 6.214 7.19184 8.60247 numMergedOcc 0
43 mol 218 unq 0 iso 0 dist 6.29367 8.75536 6.57708 6.05563 6.86795 11.2108 10.3145 5.7776 11.7657 7.18041 numMergedOcc 0
44 mol 218 unq 1 iso 0 dist 6.29367 8.75536 6.57708 8.36122 6.61099 12.5343 10.3145 5.7776 11.7657 7.17547 numMergedOcc 0
45 mol 218 unq 2 iso 0 dist 6.29367 8.75536 6.57708 8.36122 6.61099 12.5343 14.6103 9.97783 15.421 7.13323 numMergedOcc 0
46 mol 218 unq 3 iso 0 dist 8.06216 7.33709 7.4492 7.47048 9.67381 12.5343 10.9501 10.3246 11.7657 7.17547 numMergedOcc 0
47 mol 218 unq 4 iso 0 dist 8.06216 7.33709 7.4492 7.47048 9.67381 12.5343 12.8943 9.8301 15.421 7.13323 numMergedOcc 0
48 mol 218 unq 5 iso 0 dist 5.76954 7.33709 6.57708 9.68444 6.86795 11.2108 10.9501 5.7776 11.7657 7.18041 numMergedOcc 0
49 mol 218 unq 6 iso 0 dist 5.76954 7.33709 6.57708 7.47048 6.61099 12.5343 10.9501 5.7776 11.7657 7.17547 numMergedOcc 0
50 mol 218 unq 7 iso 0 dist 5.76954 7.33709 6.57708 7.47048 6.61099 12.5343 12.8943 9.97783 15.421 7.13323 numMergedOcc 0
51 mol 218 unq 8 iso 0 dist 9.20961 6.67404 6.57708 11.4148 6.86795 11.2108 14.7187 5.7776 11.7657 7.18041 numMergedOcc 0
52 mol 218 unq 9 iso 0 dist 9.20961 6.67404 6.57708 12.7963 6.61099 12.5343 14.7187 5.7776 11.7657 7.17547 numMergedOcc 0
53 mol 218 unq 10 iso 0 dist 9.20961 6.67404 6.57708 12.7963 6.61099 12.5343 18.1262 9.97783 15.421 7.13323 numMergedOcc 0
54 mol 238 unq 0 iso 0 dist 5.52379 9.07475 6.50998 11.6239 7.61203 11.316 11.5794 11.0349 14.0512 7.67322 numMergedOcc 0
55 mol 238 unq 1 iso 0 dist 5.52379 9.07475 6.50998 13.9614 9.47845 14.1582 10.0419 5.87253 9.06913 9.68513 numMergedOcc 0
56 mol 238 unq 2 iso 0 dist 5.52379 9.07475 6.50998 13.9614 9.47845 14.1582 12.2442 10.7551 17.0707 9.29858 numMergedOcc 0
57 mol 238 unq 3 iso 0 dist 5.52379 9.07475 6.50998 12.3042 6.92409 10.2916 13.6591 10.7508 14.0933 9.90142 numMergedOcc 0
58 mol 238 unq 4 iso 0 dist 5.52379 9.07475 6.50998 12.3042 6.92409 10.2916 10.0419 5.87253 9.06913 5.9216 numMergedOcc 0
59 mol 238 unq 5 iso 0 dist 5.52379 9.07475 6.50998 5.54325 6.89694 8.82776 11.0896 13.0113 16.1799 7.49471 numMergedOcc 0
60 mol 238 unq 6 iso 0 dist 5.52379 9.07475 6.50998 5.54325 6.89694 8.82776 11.5794 11.0349 14.0512 7.19008 numMergedOcc 0
61 mol 238 unq 7 iso 0 dist 5.52379 6.99888 5.63944 11.6239 7.61203 9.99105 11.5794 11.0349 11.0772 7.67322 numMergedOcc 0
62 mol 238 unq 8 iso 0 dist 5.52379 6.99888 5.63944 13.9614 9.47845 13.7042 10.0419 5.87253 10.2642 9.68513 numMergedOcc 0
63 mol 238 unq 9 iso 0 dist 5.52379 6.99888 5.63944 13.9614 9.47845 13.7042 12.2442 10.7551 16.2734 9.29858 numMergedOcc 0
64 mol 238 unq 10 iso 0 dist 5.52379 6.99888 5.63944 12.3042 6.92409 10.8123 13.6591 10.7508 15.3952 9.90142 numMergedOcc 0
65 mol 238 unq 11 iso 0 dist 5.52379 6.99888 5.63944 12.3042 6.92409 10.8123 10.0419 5.87253 10.2642 5.9216 numMergedOcc 0
66 mol 238 unq 12 iso 0 dist 5.52379 6.99888 5.63944 5.54325 6.89694 5.43613 11.0896 13.0113 12.7938 7.49471 numMergedOcc 0
67 mol 238 unq 13 iso 0 dist 5.52379 6.99888 5.63944 5.54325 6.89694 5.43613 11.5794 11.0349 11.0772 7.19008 numMergedOcc 0
68 mol 238 unq 14 iso 0 dist 5.64181 9.08509 6.94907 10.4664 8.6597 14.4363 10.0756 11.1167 16.0331 5.38637 numMergedOcc 0
69 mol 238 unq 15 iso 0 dist 5.64181 9.08509 6.94907 10.4664 8.6597 14.4363 7.31233 7.83352 11.0772 6.55759 numMergedOcc 0
70 mol 238 unq 16 iso 0 dist 5.64181 9.08509 6.94907 11.2717 7.47235 10.529 12.4767 7.69482 5.80212 8.96531 numMergedOcc 0
71 mol 238 unq 17 iso 0 dist 5.64181 9.08509 6.94907 11.2717 7.47235 10.529 7.31233 7.83352 11.0772 7.02475 numMergedOcc 0
72 mol 238 unq 18 iso 0 dist 5.64181 9.08509 6.94907 5.17471 6.44735 5.43613 6.22714 10.216 12.7938 7.49471 numMergedOcc 0
73 mol 238 unq 19 iso 0 dist 5.64181 9.08509 6.94907 5.17471 6.44735 5.43613 7.31233 7.83352 11.0772 7.19008 numMergedOcc 0
74 mol 238 unq 20 iso 0 dist 7.61393 9.06592 9.9447 13.3539 8.6597 12.841 14.6071 11.1167 16.8013 5.38637 numMergedOcc 0
75 mol 238 unq 21 iso 0 dist 7.61393 9.06592 9.9447 13.3539 8.6597 12.841 13.1583 7.83352 16.2442 6.55759 numMergedOcc 0
76 mol 238 unq 22 iso 0 dist 7.61393 9.06592 9.9447 14.7509 7.47235 14.0279 13.6867 7.69482 13.322 8.96531 numMergedOcc 0
77 mol 238 unq 23 iso 0 dist 7.61393 9.06592 9.9447 14.7509 7.47235 14.0279 13.1583 7.83352 16.2442 7.02475 numMergedOcc 0
78 mol 238 unq 24 iso 0 dist 7.61393 9.06592 9.9447 10.7999 6.44735 16.1497 12.6642 10.216 18.3429 7.49471 numMergedOcc 0
79 mol 238 unq 25 iso 0 dist 7.61393 9.06592 9.9447 10.7999 6.44735 16.1497 13.1583 7.83352 16.2442 7.19008 numMergedOcc 0
80 mol 248 unq 0 iso 0 dist 6.17052 9.05018 7.14182 6.48757 8.53148 5.0345 7.69895 5.99459 4.58289 6.07192 numMergedOcc 0
81 mol 259 unq 0 iso 0 dist 8.55558 5.85442 7.32929 5.79468 6.39918 6.23661 7.46176 5.60748 10.067 7.48005 numMergedOcc 0
82 mol 259 unq 1 iso 0 dist 8.55558 5.85442 7.32929 5.79468 6.39918 6.23661 11.858 7.31951 7.09907 8.37865 numMergedOcc 0
83 mol 259 unq 2 iso 0 dist 8.55558 6.95511 9.55426 5.79468 6.39918 9.43105 7.46176 5.60748 11.6988 7.48005 numMergedOcc 0
84 mol 259 unq 3 iso 0 dist 8.55558 6.95511 9.55426 5.79468 6.39918 9.43105 11.858 7.31951 9.71793 8.37865 numMergedOcc 0
85 mol 259 unq 4 iso 0 dist 8.59697 8.03219 4.67584 5.31048 6.39918 8.84648 12.0576 5.60748 10.282 7.48005 numMergedOcc 0
86 mol 259 unq 5 iso 0 dist 8.59697 8.03219 4.67584 5.31048 6.39918 8.84648 5.30224 7.31951 4.04513 8.37865 numMergedOcc 0
87 mol 259 unq 6 iso 0 dist 8.59697 6.9899 7.32929 5.31048 6.39918 6.23661 12.0576 5.60748 10.067 7.48005 numMergedOcc 0
88 mol 259 unq 7 iso 0 dist 8.59697 6.9899 7.32929 5.31048 6.39918 6.23661 5.30224 7.31951 7.09907 8.37865 numMergedOcc 0
